Geometry & MOs

Info

ID:	391033
PubChem CID:	135002340
Reduced:	ClNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	0.51
Dipole, Da:	1.5
IP(EA), eV:	-7.99(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(4-methoxyphenyl)-1-oxidopyridin-1-ium-2-yl]propanoate

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)OC)C=C

DOS

IR

Vibrations